(5-methyl-2-propan-2-yl-phenyl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (2-isopropyl-5-methyl-phenyl) (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) (2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C29H30N2O4 MolecularWeight: 470.5595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H30N2O4/c1-19(2)23-14-13-20(3)15-27(23)35-28(32)26(16-22-17-30-25-12-8-7-11-24(22)25)31-29(33)34-18-21-9-5-4-6-10-21/h4-15,17,19,26,30H,16,18H2,1-3H3,(H,31,33)/t26-/m0/s1